bulk:  Cu fcc 3.62
subst:  Cu 3.54
v1: 5929.741
n1: 500
v1pa: 11.859482
ene0: -1770.0
ene0pa: -3.54
subst n: 29
ene1nm: -1770.0
ene1nmf: 0.0
ene2m: -1770.0
ene2mf: 0.0
ene3v: -1770.0
ene3vf: 0.0
esubf: 0.0
V4: 5929.741
vintf:  11.859482
vintfr:  1.0
